1-[(3,4-dimethoxyphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(3-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(3-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(3-methyl-2-thienyl)methyl]nipecotic acid Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC(=C(C=C2)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC(=C(C=C2)OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H25NO4S/c1-13-8-10-26-19(13)18(21-9-4-5-15(12-21)20(22)23)14-6-7-16(24-2)17(11-14)25-3/h6-8,10-11,15,18H,4-5,9,12H2,1-3H3,(H,22,23)